| 학회 | 한국화학공학회 |
| 학술대회 | 2021년 가을 (10/27 ~ 10/29, 광주 김대중컨벤션센터) |
| 권호 | 27권 2호, p.2205 |
| 발표분야 | 촉매 및 반응공학 |
| 제목 | Understanding Reaction Mechanisms and Catalytic Activities of Electrochemical Ammonia Oxidation on Transition Metals |
| 초록 | To produce green H2, oxygen evolution reaction (OER) has been intensively investigated in the past decade, although a large overpotential and harsh operating potential have been considered as bottlenecks for a commercialization. As an alternative, NH3 oxidation has gained attention recently. NH3 electrooxidation reaction has a great potential for H2 production, because it theoretically requires 98 % less energy than OER considering the equilibrium potentials (0.03 VRHE for H2/NH3 vs. 1.23 VRHE for H2/H2O). Among pure metals, Pt is known to exhibit the best catalytic activity, where overpotential is around 0.50 V. To discover new catalysts that outperform Pt, fundamental studies on activities and reaction mechanisms are required. In this talk, I'll discuss systematic computational results for NH3 electrooxidation on 26 transition metals. We considered all possible reaction pathways, thermo-coupling, electrochemical and combined ones, resulting in total 9 pathways. By performing a microkinetic analysis, we determined the most favorable pathway for each catalyst, and we propose a catalyst design strategy by finding activity descriptors and constructing kinetic volcano plot. |
| 저자 | 장호연, 백서인 |
| 소속 | 서강대 |
| 키워드 | 촉매 |
| 원문파일 | 초록 보기 |
